2316-2078 Screening compound: (2E)-N-(6-bromo-2-oxo-2H-chromen-3-yl)-3-(3-nitrophenyl)prop-2-enamide

2316-2078 Screening compound: (2E)-N-(6-bromo-2-oxo-2H-chromen-3-yl)-3-(3-nitrophenyl)prop-2-enamide
2316-2078 Screening compound: (2E)-N-(6-bromo-2-oxo-2H-chromen-3-yl)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2316-2078
(2E)-N-(6-bromo-2-oxo-2H-chromen-3-yl)-3-(3-nitrophenyl)prop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2316-2078

Molecular Formula

C18H11BrN2O5 (C18 H11 BrN2 O5)

Compound Name

(2E)-N-(6-bromo-2-oxo-2H-chromen-3-yl)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-(6-bromo-2-oxo-2H-chromen-3-yl)-3-(3-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c1cccc(/C=C/C(NC2=Cc(cc(cc3)Br)c3OC2=O)=O)c1)=O

InChI

InChI=1S/C18H11BrN2O5/c19-13-5-6-16-12(9-13)10-15(18(23)26-16)20-17(22)7-4-11-2-1-3-14(8-11)21(24)25/h1-10H,(H,20,22)

InChI Key

CJEQXCRIASRNDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.2

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.64

Polar Surface Area

78.383

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2316-2078 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2316-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2316-2078?
Check Price and Availability of 2316-2078, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2316-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2316-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2316-2078
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2316-2078 available by request